6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-propan-2-yl-1H-pyrimidine-2,4-diamine

C12H24N6 — CID 150124058

IUPAC6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-propan-2-yl-1H-pyrimidine-2,4-diamine
SMILESCN[C@@H]1CCN(C2=CC(N)(C(C)C)N=C(N)N2)C1
InChIInChI=1S/C12H24N6/c1-8(2)12(14)6-10(16-11(13)17-12)18-5-4-9(7-18)15-3/h6,8-9,15H,4-5,7,14H2,1-3H3,(H3,13,16,17)/t9-,12?/m1/s1
InChIKeyDZVTUVAKCYSPHI-PKEIRNPWSA-N
MW252.37 g/mol
LogP-0.65
Rot. Bonds3

About 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-propan-2-yl-1H-pyrimidine-2,4-diamine

6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-propan-2-yl-1H-pyrimidine-2,4-diamine (PubChem CID 150124058) has the molecular formula C12H24N6 and a molecular weight of 252.37 g/mol. Its IUPAC name is 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-propan-2-yl-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-propan-2-yl-1H-pyrimidine-2,4-diamine
PubChem CID150124058
Molecular FormulaC12H24N6
Molecular Weight252.37 g/mol
Exact Mass252.21
IUPAC Name6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-propan-2-yl-1H-pyrimidine-2,4-diamine
SMILESCN[C@@H]1CCN(C2=CC(N)(C(C)C)N=C(N)N2)C1
InChIInChI=1S/C12H24N6/c1-8(2)12(14)6-10(16-11(13)17-12)18-5-4-9(7-18)15-3/h6,8-9,15H,4-5,7,14H2,1-3H3,(H3,13,16,17)/t9-,12?/m1/s1
InChIKeyDZVTUVAKCYSPHI-PKEIRNPWSA-N
XLogP-0.65
TPSA91.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 5-0.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-propan-2-yl-1H-pyrimidine-2,4-diamine?
The IUPAC name of 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-propan-2-yl-1H-pyrimidine-2,4-diamine (CID 150124058) is 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-propan-2-yl-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-propan-2-yl-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-propan-2-yl-1H-pyrimidine-2,4-diamine is CN[C@@H]1CCN(C2=CC(N)(C(C)C)N=C(N)N2)C1.
What is the InChIKey of 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-propan-2-yl-1H-pyrimidine-2,4-diamine?
The InChIKey is DZVTUVAKCYSPHI-PKEIRNPWSA-N. The full InChI is InChI=1S/C12H24N6/c1-8(2)12(14)6-10(16-11(13)17-12)18-5-4-9(7-18)15-3/h6,8-9,15H,4-5,7,14H2,1-3H3,(H3,13,16,17)/t9-,12?/m1/s1.
What are the key properties of 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-propan-2-yl-1H-pyrimidine-2,4-diamine?
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-propan-2-yl-1H-pyrimidine-2,4-diamine has a molecular weight of 252.37 g/mol, XLogP of -0.65, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-propan-2-yl-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 150124058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).